1,595 Works

Ea_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

isoC_H20_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

isoA_tosyl_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

C_H20_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

isoC_toluene_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

C_toluene_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_C_H2O_1 (IRC)

Bethan Coulson
Gaussian Calculation

isopropoxydiphenylborane

Henry Rzepa
Gaussian Calculation

5-hydroxy-8,8-dimethyl-5,8-dihydro-7H-5λ4,9λ4-dibenzo[c,e][1,3,2]oxazaborolo[3,2-a][1,2]azaborepin-7-one

Henry Rzepa
Gaussian Calculation

B(NHMe)3 + RCO2H TS TZVPP, no PT IRC

Henry Rzepa
Gaussian Calculation

SRS

Henry Rzepa
Gaussian Calculation

RSS

Henry Rzepa
Gaussian Calculation

J_isoTS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

IRC_K_1 (IRC)

Bethan Coulson
Gaussian Calculation

IRC_J_1 (IRC)

Bethan Coulson
Gaussian Calculation

J_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

isoK_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

M_isoTS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

M_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

6-ring metallocene search queries

Henry Rzepa
Search queries for use with the CCDC Conquest program

NCNH3OH, 8 waters RP

Henry Rzepa
Gaussian Calculation

Metal-ring complexes with one carbon substituent

Henry Rzepa
A search query for the CSD Conquest software for ring sizes 3-9 with a metal bound to the face.

Def2-TZVPPD 11 water

Henry Rzepa
Gaussian Calculation

hydronium hydroxide Def2-TZVPPD water C3 + 9H2O alt

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2016
    1,595

Resource Types

  • Dataset
    1,595

Affiliations

  • Imperial College London
    1,595
  • University of Oxford
    6
  • Royal Botanic Gardens
    2
  • University of Groningen
    2
  • University of Manchester
    2
  • French National Centre for Scientific Research
    2
  • University College London
    2
  • Museo Nacional de Ciencias Naturales
    2
  • Zoological Society of London
    2
  • University of London
    2